1H, 13C and 15N chemical shift assignments for SRY.B in complex with 16-mer DNA
VQDRVKRPMN AFIVWSRDQR RKMALENPRM RNSEISKQLG YQWKMLTEAE KWPFFQEAQK LQAMHREKYP NYKYRKGETK KKFKDPNAPK RPPSAFFLFC SEYRPKIKGE HPGLSIGDVA KKLGEMWNNT AADDKQPYEK KAAKLKEKYE KDIAAYRAK
Polymer type: polypeptide(L) polydeoxyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.7 % (2145 of 2339) | 95.2 % (1336 of 1403) | 83.9 % (645 of 769) | 98.2 % (164 of 167) |
Backbone | 87.9 % (1016 of 1156) | 96.5 % (518 of 537) | 74.5 % (351 of 471) | 99.3 % (147 of 148) |
Sidechain | 95.9 % (1281 of 1336) | 94.5 % (818 of 866) | 98.9 % (446 of 451) | 89.5 % (17 of 19) |
Aromatic | 96.9 % (246 of 254) | 96.2 % (153 of 159) | 97.8 % (89 of 91) | 100.0 % (4 of 4) |
Methyl | 100.0 % (113 of 113) | 100.0 % (61 of 61) | 100.0 % (52 of 52) |
1. SRY.B
VQDRVKRPMN AFIVWSRDQR RKMALENPRM RNSEISKQLG YQWKMLTEAE KWPFFQEAQK LQAMHREKYP NYKYRKGETK KKFKDPNAPK RPPSAFFLFC SEYRPKIKGE HPGLSIGDVA KKLGEMWNNT AADDKQPYEK KAAKLKEKYE KDIAAYRAK2. 16-mer DNA trand 1
GGGATCTAAA CAATGC3. 16-mer DNA strand 2
GCATTGTTTA GATCCCTemperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Bruker DRX - 500 MHz
State isotropic, Temperature 310 K, pH 6.8 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRY.B | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | Sodium phosphate | 10 mM | ||
3 | EDTA | 1 mM | ||
4 | DTT | [U-98% 2H] | 2 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr7105_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 VQDRVKRPMNAFIVWSRDQRRKMALENPRMRNSEISKQLGYQWKMLTEAEKWPFFQEAQKLQAMHREKYPNYKYRKGETKKKFKDPNAPKRPPSAFFLFC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VQDRVKRPMNAFIVWSRDQRRKMALENPRMRNSEISKQLGYQWKMLTEAEKWPFFQEAQKLQAMHREKYPNYKYRKGETKKKFKDPNAPKRPPSAFFLFC -------110-------120-------130-------140-------150--------- SEYRPKIKGEHPGLSIGDVAKKLGEMWNNTAADDKQPYEKKAAKLKEKYEKDIAAYRAK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SEYRPKIKGEHPGLSIGDVAKKLGEMWNNTAADDKQPYEKKAAKLKEKYEKDIAAYRAK
--------10------ GGGATCTAAACAATGC |||||||||||||||| GGGATCTAAACAATGC
--------10------ GCATTGTTTAGATCCC |||||||||||||||| GCATTGTTTAGATCCC
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
16 | SER | HG | 4.379 |
33 | SER | HG | 4.192 |
100 | CYS | HG | 1.479 |
130 | THR | HG1 | 5.319 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1092 | 1059 | 97.0 |
13C chemical shifts | 769 | 619 | 80.5 |
15N chemical shifts | 179 | 163 | 91.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 313 | 310 | 99.0 |
13C chemical shifts | 318 | 173 | 54.4 |
15N chemical shifts | 148 | 146 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 779 | 749 | 96.1 |
13C chemical shifts | 451 | 446 | 98.9 |
15N chemical shifts | 31 | 17 | 54.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 58 | 58 | 100.0 |
13C chemical shifts | 58 | 58 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 95 | 93 | 97.9 |
13C chemical shifts | 91 | 89 | 97.8 |
15N chemical shifts | 4 | 4 | 100.0 |
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
3 | DG | H21 | 6.116 |
3 | DG | H22 | 6.116 |
12 | DA | H62 | 6.277 |
13 | DA | H61 | 6.071 |
13 | DA | H62 | 7.942 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 153 | 145 | 94.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 112 | 109 | 97.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 36 | 87.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 3 | 3 | 100.0 |
13C chemical shifts | 3 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 16 | 16 | 100.0 |
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
12 | DA | H61 | 7.501 |
12 | DA | H62 | 7.501 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 158 | 144 | 91.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 112 | 104 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 46 | 40 | 87.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 6 | 6 | 100.0 |
13C chemical shifts | 6 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 9 | 9 | 100.0 |